Molecule

ID:31329

General Information
Structure
Molecular Formula
C₁₀H₁₅Cl₂FN₂
Molecular Mass
253.1439032
Exact Mass
252.05963207
Charge
0
InChI
InChI=1S/C10H13FN2.2ClH/c11-8-3-4-10(9(12)7-8)13-5-1-2-6-13;;/h3-4,7H,1-2,5-6,12H2;2*1H
InChIKey
UPIZENJBVHAWEP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)N1CCCC1.Cl.Cl
Isomeric Smiles
c1(N2CCCC2)c(cc(cc1)F)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7824994
LogD (pH = 7.4)
1.800627
Log P
1.8008631
Molar Refractivity
52.9444
Polarizability
18.904615
Polar Surface Area
29.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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